5-chloro-7-(1-hydroxy-2-phenylethyl)-3-methyl-1,3-dihydroindol-2-one

C17H16ClNO2 — CID 82173417

IUPAC5-chloro-7-(1-hydroxy-2-phenylethyl)-3-methyl-1,3-dihydroindol-2-one
SMILESCC1C(=O)Nc2c(C(O)Cc3ccccc3)cc(Cl)cc21
InChIInChI=1S/C17H16ClNO2/c1-10-13-8-12(18)9-14(16(13)19-17(10)21)15(20)7-11-5-3-2-4-6-11/h2-6,8-10,15,20H,7H2,1H3,(H,19,21)
InChIKeyMWZPKUZFKPUNBS-UHFFFAOYSA-N
MW301.77 g/mol
LogP3.67
Rot. Bonds3

About 5-chloro-7-(1-hydroxy-2-phenylethyl)-3-methyl-1,3-dihydroindol-2-one

5-chloro-7-(1-hydroxy-2-phenylethyl)-3-methyl-1,3-dihydroindol-2-one (PubChem CID 82173417) has the molecular formula C17H16ClNO2 and a molecular weight of 301.77 g/mol. Its IUPAC name is 5-chloro-7-(1-hydroxy-2-phenylethyl)-3-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-chloro-7-(1-hydroxy-2-phenylethyl)-3-methyl-1,3-dihydroindol-2-one
PubChem CID82173417
Molecular FormulaC17H16ClNO2
Molecular Weight301.77 g/mol
Exact Mass301.09
IUPAC Name5-chloro-7-(1-hydroxy-2-phenylethyl)-3-methyl-1,3-dihydroindol-2-one
SMILESCC1C(=O)Nc2c(C(O)Cc3ccccc3)cc(Cl)cc21
InChIInChI=1S/C17H16ClNO2/c1-10-13-8-12(18)9-14(16(13)19-17(10)21)15(20)7-11-5-3-2-4-6-11/h2-6,8-10,15,20H,7H2,1H3,(H,19,21)
InChIKeyMWZPKUZFKPUNBS-UHFFFAOYSA-N
XLogP3.67
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-(1-hydroxy-2-phenylethyl)-3-methyl-1,3-dihydroindol-2-one?
The IUPAC name of 5-chloro-7-(1-hydroxy-2-phenylethyl)-3-methyl-1,3-dihydroindol-2-one (CID 82173417) is 5-chloro-7-(1-hydroxy-2-phenylethyl)-3-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-chloro-7-(1-hydroxy-2-phenylethyl)-3-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-chloro-7-(1-hydroxy-2-phenylethyl)-3-methyl-1,3-dihydroindol-2-one is CC1C(=O)Nc2c(C(O)Cc3ccccc3)cc(Cl)cc21.
What is the InChIKey of 5-chloro-7-(1-hydroxy-2-phenylethyl)-3-methyl-1,3-dihydroindol-2-one?
The InChIKey is MWZPKUZFKPUNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO2/c1-10-13-8-12(18)9-14(16(13)19-17(10)21)15(20)7-11-5-3-2-4-6-11/h2-6,8-10,15,20H,7H2,1H3,(H,19,21).
What are the key properties of 5-chloro-7-(1-hydroxy-2-phenylethyl)-3-methyl-1,3-dihydroindol-2-one?
5-chloro-7-(1-hydroxy-2-phenylethyl)-3-methyl-1,3-dihydroindol-2-one has a molecular weight of 301.77 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-(1-hydroxy-2-phenylethyl)-3-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 82173417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).